Chem Catalysis · 2021 · 18 citations · 47 references
Natural SciencesChemical EngineeringChemistryNanomaterialsNanotechnologyNanocatalysisNanomaterials SynthesisNanoparticle DesignNanoparticle SynthesisSurface Functionalization Of NanomaterialsGold NanostructuresGold Surface FunctionalizationNitro ReductionRadical TrappingReduction Of Nitroaromatic Compounds
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17